N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide

C23H25ClN6O2 — CID 52940786

IUPACN-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C23H25ClN6O2/c1-15(31)28-18-6-7-21-19(13-18)22(27-14-26-21)29-8-10-30(11-9-29)23(32)20(25)12-16-2-4-17(24)5-3-16/h2-7,13-14,20H,8-12,25H2,1H3,(H,28,31)/t20-/m1/s1
InChIKeyQDVBJEKZZIAJJO-HXUWFJFHSA-N
MW452.95 g/mol
LogP2.46
Rot. Bonds5

About N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide

N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide (PubChem CID 52940786) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide
PubChem CID52940786
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC NameN-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C23H25ClN6O2/c1-15(31)28-18-6-7-21-19(13-18)22(27-14-26-21)29-8-10-30(11-9-29)23(32)20(25)12-16-2-4-17(24)5-3-16/h2-7,13-14,20H,8-12,25H2,1H3,(H,28,31)/t20-/m1/s1
InChIKeyQDVBJEKZZIAJJO-HXUWFJFHSA-N
XLogP2.46
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide?
The IUPAC name of N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide (CID 52940786) is N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide.
What is the SMILES notation for N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide?
The canonical SMILES for N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide is CC(=O)Nc1ccc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide?
The InChIKey is QDVBJEKZZIAJJO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c1-15(31)28-18-6-7-21-19(13-18)22(27-14-26-21)29-8-10-30(11-9-29)23(32)20(25)12-16-2-4-17(24)5-3-16/h2-7,13-14,20H,8-12,25H2,1H3,(H,28,31)/t20-/m1/s1.
What are the key properties of N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide?
N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide has a molecular weight of 452.95 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]quinazolin-6-yl]acetamide is sourced from PubChem (CID 52940786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).